methyl (1R,15S,17R,18R,19S,20S)-17-[3-(dimethylamino)benzoyl]oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
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methyl (1R,15S,17R,18R,19S,20S)-17-[3-(dimethylamino)benzoyl]oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
structure -
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CAS No:
3735-87-3
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Formula:
C32H39N3O6
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Chemical Name:
methyl (1R,15S,17R,18R,19S,20S)-17-[3-(dimethylamino)benzoyl]oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
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Synonyms:
Dimethylaminobenzoyl methylreserpate;Su 5171;NSC77031;NSC-77031;Reserpic acid, m-(dimethylamino)benzoate;3735-87-3;Benzoic acid, ester with methyl reserpate;3.beta., 18.beta.-hydroxy-11,17.alpha.-dimethoxy-, methyl ester, m-(dimethylamino)benzoate (ester)
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CAS No:
methyl (1R,15S,17R,18R,19S,20S)-17-[3-(dimethylamino)benzoyl]oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate Basic Attributes
561.7 g/mol
561.28388597 g/mol
77031
Computed Properties
Molecular Weight:561.7
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:561.28388597
Monoisotopic Mass:561.28388597
Topological Polar Surface Area:93.3
Heavy Atom Count:41
Complexity:948
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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